Function pdbtbx::validate

pub fn validate(pdb: &PDB) -> Vec<PDBError>

Validate a given PDB file in terms of invariants that should be held up. It returns PDBErrors with the warning messages.

Invariants Tested

• With multiple models the models should all contain atoms that correspond.
• All matrix type PDB records (SCALEn, ORIGXn, MTRIXn) have to be fully specified, so all rows set.

Invariants Not Tested

• Numbering of all structs, serial numbers should be unique. To enforce this the renumber() function should be called on the PDB struct.